5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide

C27H29ClN4O3 — CID 11488766

IUPAC5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C27H29ClN4O3/c28-19-10-13-21-18(15-19)16-24(29-21)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-20(12-9-17)32-14-4-3-7-25(32)33/h8-13,15-16,22-23,29H,1-7,14H2,(H,30,34)(H,31,35)
InChIKeyKGOJAQYSHZWPMB-UHFFFAOYSA-N
MW493.01 g/mol
LogP4.81
Rot. Bonds5

About 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide

5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 11488766) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID11488766
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC Name5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C27H29ClN4O3/c28-19-10-13-21-18(15-19)16-24(29-21)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-20(12-9-17)32-14-4-3-7-25(32)33/h8-13,15-16,22-23,29H,1-7,14H2,(H,30,34)(H,31,35)
InChIKeyKGOJAQYSHZWPMB-UHFFFAOYSA-N
XLogP4.81
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(1S,2R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide
CID 11213659
5-chloro-N-[2-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 67188500
3-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
CID 11641494
5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide
CID 58822060
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 69439081
6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide
CID 22240412
N-(2-carbamoylcyclopentyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18453013
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68907992
N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68909270
3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
CID 11598427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide (CID 11488766) is 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide is O=C(NC1CCCCC1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is KGOJAQYSHZWPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c28-19-10-13-21-18(15-19)16-24(29-21)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-20(12-9-17)32-14-4-3-7-25(32)33/h8-13,15-16,22-23,29H,1-7,14H2,(H,30,34)(H,31,35).
What are the key properties of 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 493.01 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11488766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).